Geometry & MOs

Info

ID:	8287
PubChem CID:	76023
Reduced:	SO2C10H20 (1)
Stoich.:	AB2C10D20 (1)
Weight, g/mol:	204.118401
ΔH_f, kcal/mol:	-128.39
Dipole, Da:	2.52
IP(EA), eV:	-9.22(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

octyl 2-sulfanylacetate

Drug info:

PubChemData

Smile

CCCCCCCCOC(=O)CS

DOS

IR

Vibrations